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alexxy/gromacs.git
2019-01-02 Mark AbrahamMerge branch release-2019 commit | commitdiff | tree | snapshot
2018-12-31 Paul BauerPrepare for 2019.1 commit | commitdiff | tree | snapshot
2018-12-31 Paul BauerGROMACS 2019 release commit | commitdiff | tree | snapshot
2018-12-31 Szilárd PállFix release notes typo commit | commitdiff | tree | snapshot
2018-12-31 Szilárd PállAdd CUDA CC 7.5 (Turing) support with nvcc commit | commitdiff | tree | snapshot
2018-12-31 Kevin BoydOnly report intra-sim communication with multiple ranks commit | commitdiff | tree | snapshot
2018-12-31 Paul BauerMerge branch release-2018 into release-2019 commit | commitdiff | tree | snapshot
2018-12-31 David van der... Moved generic simulationdatabase code to testutils. commit | commitdiff | tree | snapshot
2018-12-31 Kevin BoydFree more memory in constraints cleanup commit | commitdiff | tree | snapshot
2018-12-30 David van der... Moved input files for tests to simulation database. commit | commitdiff | tree | snapshot
2018-12-30 David van der... Implemented native normal mode analysis tests. commit | commitdiff | tree | snapshot
2018-12-28 Kevin BoydChange t_extmass pointers to std::vector commit | commitdiff | tree | snapshot
2018-12-28 Kevin BoydConvert gmx_stochd_t to C++ commit | commitdiff | tree | snapshot
2018-12-27 Szilárd PállUse std::swap in LINCS commit | commitdiff | tree | snapshot
2018-12-27 Paul BauerDocument OpenCL timer issue. commit | commitdiff | tree | snapshot
2018-12-27 Berk HessUse AtomPair for LINCS indexing commit | commitdiff | tree | snapshot
2018-12-27 Artem ZhmurovThe tests for LINCS and SHAKE constraints. commit | commitdiff | tree | snapshot
2018-12-27 Berk HessUse arrayref in LINCS commit | commitdiff | tree | snapshot
2018-12-27 Kevin BoydUse std::vector for trotter_seq commit | commitdiff | tree | snapshot
2018-12-27 Kevin BoydMake all thread-mpi threads release cr structure commit | commitdiff | tree | snapshot
2018-12-27 Kevin BoydRemove unused function declarations in update.h commit | commitdiff | tree | snapshot
2018-12-26 Kevin BoydFix small leaks in do_md cleanup commit | commitdiff | tree | snapshot
2018-12-26 Christian Blaumdspan - basic_mdspan and mdspan declaration commit | commitdiff | tree | snapshot
2018-12-24 Teemu MurtolaUse label to select doxygen version commit | commitdiff | tree | snapshot
2018-12-22 Paul BauerFix mdrun -nb GPU on non-gpu builds commit | commitdiff | tree | snapshot
2018-12-22 David van der... Revert "Removed t_topology from gmx msd" commit | commitdiff | tree | snapshot
2018-12-22 Szilárd PállRuntime check of device OpenCL support commit | commitdiff | tree | snapshot
2018-12-22 Mark AbrahamFix unused parameter warning commit | commitdiff | tree | snapshot
2018-12-22 Aleksei IupinovAdd a sanity check for OpenCL devices commit | commitdiff | tree | snapshot
2018-12-22 Jiannan LiuMissing factor of 2 in cos-acceleration commit | commitdiff | tree | snapshot
2018-12-21 Berk HessImprove nbnxn cjFromCi() function commit | commitdiff | tree | snapshot
2018-12-21 Kevin BoydFree global_stat at end of do_md commit | commitdiff | tree | snapshot
2018-12-21 Kevin BoydCall wallcycle counter cleanup function commit | commitdiff | tree | snapshot
2018-12-21 Kevin BoydFix leak in legacymdrunoptions commit | commitdiff | tree | snapshot
2018-12-21 Kevin BoydFix small leak in forcerec commit | commitdiff | tree | snapshot
2018-12-21 Szilárd PállMake jenkins own-fftw verify use local tarball commit | commitdiff | tree | snapshot
2018-12-20 Christian Blaumdspan - basic accessor policy commit | commitdiff | tree | snapshot
2018-12-20 Christian Blaumdspan - mapping for right layout commit | commitdiff | tree | snapshot
2018-12-20 Szilárd PállFix CUDA compiled target-device compatibility check commit | commitdiff | tree | snapshot
2018-12-20 Szilárd PállCorrect CUDA compatibility check commit | commitdiff | tree | snapshot
2018-12-20 Szilárd PállMerge "Merge branch release-2018 into release-2019... commit | commitdiff | tree | snapshot
2018-12-20 David van der... Removed t_topology from gmx msd commit | commitdiff | tree | snapshot
2018-12-19 M. Eric IrrgangRestrict number of OpenMP threads during testing. commit | commitdiff | tree | snapshot
2018-12-19 Jiannan LiuMissing factor of 2 in cos-acceleration commit | commitdiff | tree | snapshot
2018-12-19 Paul BauerMerge "Merge release-2019 branch into master" commit | commitdiff | tree | snapshot
2018-12-18 Szilárd PállMerge release-2019 branch into master commit | commitdiff | tree | snapshot
2018-12-18 Berk HessUse std::vector in LINCS commit | commitdiff | tree | snapshot
2018-12-17 Szilárd PállFix GMX_BUILD_OWN_FFTW_URL CMake cache entry type commit | commitdiff | tree | snapshot
2018-12-17 Paul BauerAdd matrix entry to test external FFTW build commit | commitdiff | tree | snapshot
2018-12-17 Paul BauerFix FFTW build commit | commitdiff | tree | snapshot
2018-12-17 Kevin BoydFix memory leaks in ns cleanup commit | commitdiff | tree | snapshot
2018-12-17 Kevin BoydFix memory leak at end of do_md commit | commitdiff | tree | snapshot
2018-12-17 Paul BauerCopy parallelisation info from old webpage commit | commitdiff | tree | snapshot
2018-12-17 Paul BauerMerge branch release-2018 into release-2019 commit | commitdiff | tree | snapshot
2018-12-14 Berk HessFix LINCS triangle constraining with OpenMP commit | commitdiff | tree | snapshot
2018-12-14 Paul BauerGROMACS 2019 Release candidate commit | commitdiff | tree | snapshot
2018-12-14 Berk HessFixed nullptr derefence in LINCS error commit | commitdiff | tree | snapshot
2018-12-14 Magnus LundborgSet HAVE_LMFIT properly commit | commitdiff | tree | snapshot
2018-12-14 Berk HessFix LINCS triangle constraining with OpenMP commit | commitdiff | tree | snapshot
2018-12-14 Szilárd PállEnable ARMPL in the armclang build commit | commitdiff | tree | snapshot
2018-12-13 Roland SchulzRemove unused MdrunComparisonFixture commit | commitdiff | tree | snapshot
2018-12-13 Szilárd PállAvoid spurious timing in bonded GPU launch subcounter commit | commitdiff | tree | snapshot
2018-12-13 Szilárd PállDocument the FP exception in cuFFT 7.0 commit | commitdiff | tree | snapshot
2018-12-12 Berk HessTemporary fix for OpenCL PME gather commit | commitdiff | tree | snapshot
2018-12-12 Szilárd PállImprove DLB report/note commit | commitdiff | tree | snapshot
2018-12-11 Paul BauerProperly check for MSVC in build script commit | commitdiff | tree | snapshot
2018-12-11 Szilárd PállTweak the bonded GPU energy copy/wait operations commit | commitdiff | tree | snapshot
2018-12-11 Berk HessFix update groups with 2D/3D DLB commit | commitdiff | tree | snapshot
2018-12-11 Berk HessMake large PME grids work on GPU commit | commitdiff | tree | snapshot
2018-12-11 Berk HessDocument mdrun mdp option modification commit | commitdiff | tree | snapshot
2018-12-10 Paul BauerUse more const references in topology code commit | commitdiff | tree | snapshot
2018-12-10 Paul BauerDisable gmxapi by default commit | commitdiff | tree | snapshot
2018-12-10 Mark AbrahamMake only mdrun report process ID commit | commitdiff | tree | snapshot
2018-12-10 Pascal MerzFailproof signal conversion commit | commitdiff | tree | snapshot
2018-12-10 Paul BauerMake release notes html only commit | commitdiff | tree | snapshot
2018-12-10 Paul BauerChange toctree depth in PDF manual commit | commitdiff | tree | snapshot
2018-12-09 Mark AbrahamFix POWER8 and POWER9 build commit | commitdiff | tree | snapshot
2018-12-06 boristimUpdates to do_dssp commit | commitdiff | tree | snapshot
2018-12-06 Szilárd PállAdd Bonded GPU launch overhead cycle subcounter commit | commitdiff | tree | snapshot
2018-12-06 Szilárd PállSwap the order of GPU bonded and nonbonded launch commit | commitdiff | tree | snapshot
2018-12-06 Szilárd PállFix conditional in nonlocal nbnxn GPU work skipping commit | commitdiff | tree | snapshot
2018-12-06 Szilárd PállSplit nbnxn input copy and kernel launch commit | commitdiff | tree | snapshot
2018-12-05 Szilárd PállCorrect thread count in the PME GPU reduction commit | commitdiff | tree | snapshot
2018-12-05 David van der... Added new testing code for normal mode analysis. commit | commitdiff | tree | snapshot
2018-12-05 Berk HessAdd update groups to parallelization docs commit | commitdiff | tree | snapshot
2018-12-05 Berk HessMake large PME grids work on GPU commit | commitdiff | tree | snapshot
2018-12-04 David van der... Small update to mdrun tests. commit | commitdiff | tree | snapshot
2018-12-04 Christian Blaumdspan - extents of multidimensional arrays. commit | commitdiff | tree | snapshot
2018-12-04 David van der... Removed gmx morph commit | commitdiff | tree | snapshot
2018-12-04 David van der... Removed gmx dyndom commit | commitdiff | tree | snapshot
2018-12-04 David van der... Removed gmx anadock commit | commitdiff | tree | snapshot
2018-12-03 Mark AbrahamMove responsibility for PME reduction to its module commit | commitdiff | tree | snapshot
2018-12-03 Paul BauerFix energy history reading commit | commitdiff | tree | snapshot
2018-11-30 Paul BauerRecreate flowchart figure commit | commitdiff | tree | snapshot
2018-11-29 Paul BauerMore fixes for ImageMagick test script commit | commitdiff | tree | snapshot
2018-11-29 Viacheslav... Added reference-manual entry for MiMiC commit | commitdiff | tree | snapshot
2018-11-29 Paul BauerFix energy history reading commit | commitdiff | tree | snapshot
2018-11-29 Magnus LundborgMake pull with COM from previous step work with MPI commit | commitdiff | tree | snapshot
2018-11-29 Paul BauerMake Imagemagick availability more visible commit | commitdiff | tree | snapshot
2018-11-29 Mark AbrahamRemoved erronous manual variable handling commit | commitdiff | tree | snapshot
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